Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.39 |
| ▸ | CA9 | Q16790 | 5/20 | 0.39 |
| ▸ | CA12 | O43570 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TTK | P33981 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 5/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | PPID | Q08752 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8086273 | 0.92 | PTGS2 (0.49) | PTGS2PTGS1MAPK8CNR1 | |
| SCHEMBL8087099 | 0.87 | PTGS2 (0.48) | PTGS2PTGS1CA2CA9CA12 | |
| SCHEMBL8095142 | 0.85 | PTGS2 (0.57) | PTGS2PTGS1CA2CA9CA12 | |
| SCHEMBL8094118 | 0.85 | PTGS2 (0.41) | PTGS2PTGS1CA2CA9CA12 | |
| SCHEMBL8086798 | 0.84 | PTGS2 (0.44) | PTGS2PTGS1CA2CA9CA12 | |
| SCHEMBL8094547 | 0.82 | PTGS2 (0.60) | PTGS2PTGS1CA2CA9CA12 | |
| SCHEMBL8098696 | 0.81 | PTGS2 (0.47) | PTGS2PTGS1CA2CA9CA12 | |
| SCHEMBL8095632 | 0.80 | PTGS2 (0.56) | PTGS2PTGS1CA2CA9CA12 | |
| SCHEMBL8092530 | 0.79 | PTGS2 (0.55) | PTGS2PTGS1CA2CA9CA12 | |
| SCHEMBL8095681 | 0.79 | CA2 (0.51) | PTGS2PTGS1CA2CA9CA12 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0808304-B1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2000-12-27 | — | — | EP | claimed |
| EP-0808304-B1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2000-12-27 | — | — | EP | disclosed |
| EP-0808304-A1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-11-26 | — | — | EP | disclosed |
| WO-1996024584-A1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-08-15 | — | — | WO | disclosed |